From 6eb9ded261344d0a969c8d447866cb00c0e0dfa4 Mon Sep 17 00:00:00 2001 From: Aleix Lafita Date: Mon, 16 Apr 2018 16:44:19 +0100 Subject: [PATCH] Reduce image sizes in README --- README.md | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/README.md b/README.md index ab6c425..b91ff2a 100644 --- a/README.md +++ b/README.md @@ -103,22 +103,22 @@ The results are split into the following table files: In order to visualize the mapping of the alchemical free energy onto the native domain structure, a new `PDB` file [sh3-dG_cut.pdb](example/sh3-dG_cut.pdb) is generated with the `ΔGc` values in the B-factor column. To take a look at it in `PyMOL`, open the structure and select `Action` > `preset` > `b factor putty` to obtain a representation like the one below: -![pymol](example/sh3-dG_cut.png) + In addition, two R scripts are provided to plot the free energy profile of the domain as a barplot and the Go contacts as a matrix. Use the following commands: ``` -Rscript ~/tadoss/go_contacts.R -i go_sh3/go_sh3_gomodel_golist.dat -o sh3_go-contacts.pdf +Rscript ~/tadoss/dGc_profile.R -i sh3-dG_cut.tsv -o sh3-dG_cut.pdf ``` -![contacts](example/sh3_go-contacts.jpg) + ``` -Rscript ~/tadoss/dGc_profile.R -i sh3-dG_cut.tsv -o sh3-dG_cut.pdf +Rscript ~/tadoss/go_contacts.R -i go_sh3/go_sh3_gomodel_golist.dat -o sh3_go-contacts.pdf ``` -![profile](example/sh3-dG_cut.jpg) + ## Publications